(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol

C10H13F2NO — CID 102516083

IUPAC(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
SMILESN[C@@H](CCCO)c1c(F)cccc1F
InChIInChI=1S/C10H13F2NO/c11-7-3-1-4-8(12)10(7)9(13)5-2-6-14/h1,3-4,9,14H,2,5-6,13H2/t9-/m0/s1
InChIKeyPTDCVSGNPVPEIX-VIFPVBQESA-N
MW201.22 g/mol
LogP1.74
Rot. Bonds4

About (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol

(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol (PubChem CID 102516083) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol.

Molecular Properties

Compound Name(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
PubChem CID102516083
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
SMILESN[C@@H](CCCO)c1c(F)cccc1F
InChIInChI=1S/C10H13F2NO/c11-7-3-1-4-8(12)10(7)9(13)5-2-6-14/h1,3-4,9,14H,2,5-6,13H2/t9-/m0/s1
InChIKeyPTDCVSGNPVPEIX-VIFPVBQESA-N
XLogP1.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
CID 171200181
4-amino-4-(2,3-difluorophenyl)butan-1-ol
CID 170171841
(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
CID 130706379
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
1-(2,6-difluorophenyl)butan-1-amine;hydrochloride
CID 86262880
(3S)-3-amino-3-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-ol
CID 171227356
1-(2,6-difluorophenyl)-4-ethylsulfonylbutan-1-amine
CID 79522023
(1S)-1-(2-bromo-6-fluorophenyl)butane-1,4-diamine
CID 171223208
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol?
The IUPAC name of (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol (CID 102516083) is (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol.
What is the SMILES notation for (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol?
The canonical SMILES for (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol is N[C@@H](CCCO)c1c(F)cccc1F.
What is the InChIKey of (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol?
The InChIKey is PTDCVSGNPVPEIX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13F2NO/c11-7-3-1-4-8(12)10(7)9(13)5-2-6-14/h1,3-4,9,14H,2,5-6,13H2/t9-/m0/s1.
What are the key properties of (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol?
(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol is sourced from PubChem (CID 102516083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).