6,6-difluoro-2-methylheptan-3-amine

C8H17F2N — CID 126844363

IUPAC6,6-difluoro-2-methylheptan-3-amine
SMILESCC(C)C(N)CCC(C)(F)F
InChIInChI=1S/C8H17F2N/c1-6(2)7(11)4-5-8(3,9)10/h6-7H,4-5,11H2,1-3H3
InChIKeyIVHMXXQCYRDYEP-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.41
Rot. Bonds4

About 6,6-difluoro-2-methylheptan-3-amine

6,6-difluoro-2-methylheptan-3-amine (PubChem CID 126844363) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is 6,6-difluoro-2-methylheptan-3-amine.

Molecular Properties

Compound Name6,6-difluoro-2-methylheptan-3-amine
PubChem CID126844363
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Name6,6-difluoro-2-methylheptan-3-amine
SMILESCC(C)C(N)CCC(C)(F)F
InChIInChI=1S/C8H17F2N/c1-6(2)7(11)4-5-8(3,9)10/h6-7H,4-5,11H2,1-3H3
InChIKeyIVHMXXQCYRDYEP-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-5,5-difluorohexan-2-amine
CID 156690161
2,2-difluoro-5-propan-2-yloctane
CID 175620292
6-ethyl-2-methyloctane-3,6-diamine
CID 87586167
2,9-dimethyldecane-3,8-diamine
CID 87559181
5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine
CID 126844357
(3S)-3-amino-N-cyclopropyl-6,6-difluoro-2-hydroxyheptanamide
CID 168976242
(2S)-1-fluoro-3-methylbutan-2-amine
CID 55290388
(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine
CID 146160519
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303
2,2-difluoro-5,6-dimethylheptane;propan-2-ylcycloheptane
CID 170598866
N-(3-amino-4-methylpentyl)-2,2,2-trifluoro-N-methylacetamide
CID 81483985
3-methyl-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139327187

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-methylheptan-3-amine?
The IUPAC name of 6,6-difluoro-2-methylheptan-3-amine (CID 126844363) is 6,6-difluoro-2-methylheptan-3-amine.
What is the SMILES notation for 6,6-difluoro-2-methylheptan-3-amine?
The canonical SMILES for 6,6-difluoro-2-methylheptan-3-amine is CC(C)C(N)CCC(C)(F)F.
What is the InChIKey of 6,6-difluoro-2-methylheptan-3-amine?
The InChIKey is IVHMXXQCYRDYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-6(2)7(11)4-5-8(3,9)10/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 6,6-difluoro-2-methylheptan-3-amine?
6,6-difluoro-2-methylheptan-3-amine has a molecular weight of 165.23 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-methylheptan-3-amine is sourced from PubChem (CID 126844363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).