[(1S,2S)-2,4-difluorocyclohexyl]methanamine

C7H13F2N — CID 122578445

IUPAC[(1S,2S)-2,4-difluorocyclohexyl]methanamine
SMILESNC[C@@H]1CCC(F)C[C@@H]1F
InChIInChI=1S/C7H13F2N/c8-6-2-1-5(4-10)7(9)3-6/h5-7H,1-4,10H2/t5-,6?,7-/m0/s1
InChIKeyKYCNGDZMJXQQRQ-LOJRBXKRSA-N
MW149.18 g/mol
LogP1.42
Rot. Bonds1

About [(1S,2S)-2,4-difluorocyclohexyl]methanamine

[(1S,2S)-2,4-difluorocyclohexyl]methanamine (PubChem CID 122578445) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is [(1S,2S)-2,4-difluorocyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S,2S)-2,4-difluorocyclohexyl]methanamine
PubChem CID122578445
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name[(1S,2S)-2,4-difluorocyclohexyl]methanamine
SMILESNC[C@@H]1CCC(F)C[C@@H]1F
InChIInChI=1S/C7H13F2N/c8-6-2-1-5(4-10)7(9)3-6/h5-7H,1-4,10H2/t5-,6?,7-/m0/s1
InChIKeyKYCNGDZMJXQQRQ-LOJRBXKRSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2,4-difluorocyclohexyl]methanamine?
The IUPAC name of [(1S,2S)-2,4-difluorocyclohexyl]methanamine (CID 122578445) is [(1S,2S)-2,4-difluorocyclohexyl]methanamine.
What is the SMILES notation for [(1S,2S)-2,4-difluorocyclohexyl]methanamine?
The canonical SMILES for [(1S,2S)-2,4-difluorocyclohexyl]methanamine is NC[C@@H]1CCC(F)C[C@@H]1F.
What is the InChIKey of [(1S,2S)-2,4-difluorocyclohexyl]methanamine?
The InChIKey is KYCNGDZMJXQQRQ-LOJRBXKRSA-N. The full InChI is InChI=1S/C7H13F2N/c8-6-2-1-5(4-10)7(9)3-6/h5-7H,1-4,10H2/t5-,6?,7-/m0/s1.
What are the key properties of [(1S,2S)-2,4-difluorocyclohexyl]methanamine?
[(1S,2S)-2,4-difluorocyclohexyl]methanamine has a molecular weight of 149.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2,4-difluorocyclohexyl]methanamine is sourced from PubChem (CID 122578445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).