(1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol

C7H13F2NO — CID 118556125

IUPAC(1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol
SMILESNC[C@]1(O)CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)3-1-2-6(11,4-7)5-10/h11H,1-5,10H2/t6-/m0/s1
InChIKeyJIFPGOVWBADNSG-LURJTMIESA-N
MW165.18 g/mol
LogP0.89
Rot. Bonds1

About (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol

(1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol (PubChem CID 118556125) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol
PubChem CID118556125
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol
SMILESNC[C@]1(O)CCCC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)3-1-2-6(11,4-7)5-10/h11H,1-5,10H2/t6-/m0/s1
InChIKeyJIFPGOVWBADNSG-LURJTMIESA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol?
The IUPAC name of (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol (CID 118556125) is (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol.
What is the SMILES notation for (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol?
The canonical SMILES for (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol is NC[C@]1(O)CCCC(F)(F)C1.
What is the InChIKey of (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol?
The InChIKey is JIFPGOVWBADNSG-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)3-1-2-6(11,4-7)5-10/h11H,1-5,10H2/t6-/m0/s1.
What are the key properties of (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol?
(1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol has a molecular weight of 165.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(aminomethyl)-3,3-difluorocyclohexan-1-ol is sourced from PubChem (CID 118556125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).