N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide

C13H22F2N2O2 — CID 106297520

IUPACN-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide
SMILESNCC1(NC(=O)C2CCC(F)(F)CC2)CCOCC1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)3-1-10(2-4-13)11(18)17-12(9-16)5-7-19-8-6-12/h10H,1-9,16H2,(H,17,18)
InChIKeyGUCSZHSIYVNPDO-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.44
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide

N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 106297520) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID106297520
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide
SMILESNCC1(NC(=O)C2CCC(F)(F)CC2)CCOCC1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)3-1-10(2-4-13)11(18)17-12(9-16)5-7-19-8-6-12/h10H,1-9,16H2,(H,17,18)
InChIKeyGUCSZHSIYVNPDO-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide (CID 106297520) is N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide is NCC1(NC(=O)C2CCC(F)(F)CC2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is GUCSZHSIYVNPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c14-13(15)3-1-10(2-4-13)11(18)17-12(9-16)5-7-19-8-6-12/h10H,1-9,16H2,(H,17,18).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide?
N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 276.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 106297520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).