2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene

C15H20F2O — CID 155606915

IUPAC2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene
SMILES[2H]C([2H])(c1cc(F)cc(F)c1OCC1CC1)C(C)(C)C
InChIInChI=1S/C15H20F2O/c1-15(2,3)8-11-6-12(16)7-13(17)14(11)18-9-10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3/i8D2
InChIKeyPSDFCDNRCBEISQ-MGVXTIMCSA-N
MW256.33 g/mol
LogP4.34
Rot. Bonds4

About 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene

2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene (PubChem CID 155606915) has the molecular formula C15H20F2O and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene
PubChem CID155606915
Molecular FormulaC15H20F2O
Molecular Weight256.33 g/mol
Exact Mass256.16
IUPAC Name2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene
SMILES[2H]C([2H])(c1cc(F)cc(F)c1OCC1CC1)C(C)(C)C
InChIInChI=1S/C15H20F2O/c1-15(2,3)8-11-6-12(16)7-13(17)14(11)18-9-10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3/i8D2
InChIKeyPSDFCDNRCBEISQ-MGVXTIMCSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile
CID 69036852
5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
CID 79887966
2-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421632
4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421628
1-[2-(cyclopropylmethoxy)-5-fluoro-3-methylphenyl]butan-2-amine;hydrochloride
CID 170890282
2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene
CID 90411177
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
3-(cyclopropylmethoxy)-1,2-difluoro-4-(2-methylpropyl)benzene
CID 166931519
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]butan-2-amine;hydrochloride
CID 170889987
tert-butyl 3-[(2,4,6-trifluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902538
3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol
CID 146557307
3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
CID 117434417

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene?
The IUPAC name of 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene (CID 155606915) is 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene is [2H]C([2H])(c1cc(F)cc(F)c1OCC1CC1)C(C)(C)C.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene?
The InChIKey is PSDFCDNRCBEISQ-MGVXTIMCSA-N. The full InChI is InChI=1S/C15H20F2O/c1-15(2,3)8-11-6-12(16)7-13(17)14(11)18-9-10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3/i8D2.
What are the key properties of 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene?
2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene has a molecular weight of 256.33 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene is sourced from PubChem (CID 155606915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).