4-(difluoromethyl)-N-propyloxepan-4-amine

C10H19F2NO — CID 80606016

IUPAC4-(difluoromethyl)-N-propyloxepan-4-amine
SMILESCCCNC1(C(F)F)CCCOCC1
InChIInChI=1S/C10H19F2NO/c1-2-6-13-10(9(11)12)4-3-7-14-8-5-10/h9,13H,2-8H2,1H3
InChIKeyNPAIPQQVPMEPJX-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds4

About 4-(difluoromethyl)-N-propyloxepan-4-amine

4-(difluoromethyl)-N-propyloxepan-4-amine (PubChem CID 80606016) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-propyloxepan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-propyloxepan-4-amine
PubChem CID80606016
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(difluoromethyl)-N-propyloxepan-4-amine
SMILESCCCNC1(C(F)F)CCCOCC1
InChIInChI=1S/C10H19F2NO/c1-2-6-13-10(9(11)12)4-3-7-14-8-5-10/h9,13H,2-8H2,1H3
InChIKeyNPAIPQQVPMEPJX-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethyl)-N-propylcycloheptan-1-amine
CID 80604942
4-(difluoromethyl)-N-methyloxepan-4-amine
CID 80605984
4-(difluoromethyl)-1-ethyl-N-propylazepan-4-amine
CID 80605882
4-(difluoromethyl)-2-ethyl-N-propyloxan-4-amine
CID 80605526
3-(difluoromethyl)-N-ethyloxolan-3-amine
CID 80604448
1-(difluoromethyl)-N-ethylcyclohexan-1-amine
CID 80605879
3-(difluoromethyl)-1-propan-2-yl-N-propylpyrrolidin-3-amine
CID 80605774
2-(difluoromethyl)-N-propyl-1,3-dihydroinden-2-amine
CID 80604950
1-(difluoromethyl)-2-methyl-N-propylcyclohexan-1-amine
CID 80605427
1-(difluoromethyl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 80605897
1-(difluoromethyl)-2,3-dimethyl-N-propylcyclohexan-1-amine
CID 80605656
4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 80610896

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-propyloxepan-4-amine?
The IUPAC name of 4-(difluoromethyl)-N-propyloxepan-4-amine (CID 80606016) is 4-(difluoromethyl)-N-propyloxepan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-propyloxepan-4-amine?
The canonical SMILES for 4-(difluoromethyl)-N-propyloxepan-4-amine is CCCNC1(C(F)F)CCCOCC1.
What is the InChIKey of 4-(difluoromethyl)-N-propyloxepan-4-amine?
The InChIKey is NPAIPQQVPMEPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-6-13-10(9(11)12)4-3-7-14-8-5-10/h9,13H,2-8H2,1H3.
What are the key properties of 4-(difluoromethyl)-N-propyloxepan-4-amine?
4-(difluoromethyl)-N-propyloxepan-4-amine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-propyloxepan-4-amine is sourced from PubChem (CID 80606016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).