(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine

C10H8F7NO — CID 171311871

IUPAC(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine
SMILESN[C@@H](c1ccccc1OC(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-8(12)19-6-4-2-1-3-5(6)7(18)9(13,14)10(15,16)17/h1-4,7-8H,18H2/t7-/m0/s1
InChIKeyRWCDTWCZNKIQSJ-ZETCQYMHSA-N
MW291.17 g/mol
LogP3.49
Rot. Bonds4

About (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine

(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 171311871) has the molecular formula C10H8F7NO and a molecular weight of 291.17 g/mol. Its IUPAC name is (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID171311871
Molecular FormulaC10H8F7NO
Molecular Weight291.17 g/mol
Exact Mass291.05
IUPAC Name(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine
SMILESN[C@@H](c1ccccc1OC(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-8(12)19-6-4-2-1-3-5(6)7(18)9(13,14)10(15,16)17/h1-4,7-8H,18H2/t7-/m0/s1
InChIKeyRWCDTWCZNKIQSJ-ZETCQYMHSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171250237
(3S)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171250247
(3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171243512
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]phenol
CID 131473410
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
methyl (3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-dimethylpropanoate
CID 171243498
(1S)-2,2,3,3,3-pentafluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171311703
(1R)-2,2,3,3,3-pentafluoro-1-(2-methylphenyl)propan-1-amine;hydrochloride
CID 171312531
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171230981
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine (CID 171311871) is (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine is N[C@@H](c1ccccc1OC(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is RWCDTWCZNKIQSJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H8F7NO/c11-8(12)19-6-4-2-1-3-5(6)7(18)9(13,14)10(15,16)17/h1-4,7-8H,18H2/t7-/m0/s1.
What are the key properties of (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine?
(1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 291.17 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(difluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 171311871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).