2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride

C23H24ClF2NO — CID 19364520

IUPAC2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride
SMILESCNCc1ccccc1.Cl.OC1CC1(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H12F2O.C8H11N.ClH/c16-12-5-1-3-10(7-12)15(9-14(15)18)11-4-2-6-13(17)8-11;1-9-7-8-5-3-2-4-6-8;/h1-8,14,18H,9H2;2-6,9H,7H2,1H3;1H
InChIKeyZQKMGNQSZNTZQE-UHFFFAOYSA-N
MW403.90 g/mol
LogP4.84
Rot. Bonds4

About 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride

2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride (PubChem CID 19364520) has the molecular formula C23H24ClF2NO and a molecular weight of 403.90 g/mol. Its IUPAC name is 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride
PubChem CID19364520
Molecular FormulaC23H24ClF2NO
Molecular Weight403.90 g/mol
Exact Mass403.15
IUPAC Name2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride
SMILESCNCc1ccccc1.Cl.OC1CC1(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H12F2O.C8H11N.ClH/c16-12-5-1-3-10(7-12)15(9-14(15)18)11-4-2-6-13(17)8-11;1-9-7-8-5-3-2-4-6-8;/h1-8,14,18H,9H2;2-6,9H,7H2,1H3;1H
InChIKeyZQKMGNQSZNTZQE-UHFFFAOYSA-N
XLogP4.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3-[1-(3-fluorophenyl)cycloprop-2-en-1-yl]benzene;N-methyl-1-phenylmethanamine;hydrochloride
CID 22015779
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
borane;N-methyl-1-phenylmethanamine
CID 134979061
2-(3-fluorophenyl)-2-methylcyclobutan-1-ol
CID 130118878
(Z)-3-[(1R)-2,2-bis(3-fluorophenyl)cyclopropyl]prop-2-enoic acid
CID 14347553
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
(2S,3R)-2-[(3-fluorophenyl)methyl]-2-methyl-3H-1-benzofuran-3-ol
CID 175659373
bis(N-methyl-1-phenylmethanamine);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 173404118
[2-(3-fluorophenyl)-2-methylcyclopropyl]methanol
CID 81358099
N-[(3-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61222650

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride?
The IUPAC name of 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride (CID 19364520) is 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride.
What is the SMILES notation for 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride?
The canonical SMILES for 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride is CNCc1ccccc1.Cl.OC1CC1(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride?
The InChIKey is ZQKMGNQSZNTZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O.C8H11N.ClH/c16-12-5-1-3-10(7-12)15(9-14(15)18)11-4-2-6-13(17)8-11;1-9-7-8-5-3-2-4-6-8;/h1-8,14,18H,9H2;2-6,9H,7H2,1H3;1H.
What are the key properties of 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride?
2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride has a molecular weight of 403.90 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-fluorophenyl)cyclopropan-1-ol;N-methyl-1-phenylmethanamine;hydrochloride is sourced from PubChem (CID 19364520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).