N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine

C7H13F2NO — CID 138508066

IUPACN-[(4,4-difluorocyclohexyl)methyl]hydroxylamine
SMILESONCC1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2NO/c8-7(9)3-1-6(2-4-7)5-10-11/h6,10-11H,1-5H2
InChIKeySZTFRBSRMIQMAP-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.79
Rot. Bonds2

About N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine

N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine (PubChem CID 138508066) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]hydroxylamine
PubChem CID138508066
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]hydroxylamine
SMILESONCC1CCC(F)(F)CC1
InChIInChI=1S/C7H13F2NO/c8-7(9)3-1-6(2-4-7)5-10-11/h6,10-11H,1-5H2
InChIKeySZTFRBSRMIQMAP-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine (CID 138508066) is N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine is ONCC1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine?
The InChIKey is SZTFRBSRMIQMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)3-1-6(2-4-7)5-10-11/h6,10-11H,1-5H2.
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine?
N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine has a molecular weight of 165.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]hydroxylamine is sourced from PubChem (CID 138508066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).