5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine

C10H21F2N — CID 126844357

IUPAC5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine
SMILESCNCC(CCC(C)(F)F)C(C)C
InChIInChI=1S/C10H21F2N/c1-8(2)9(7-13-4)5-6-10(3,11)12/h8-9,13H,5-7H2,1-4H3
InChIKeyMNDSQBQTCCVODB-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.91
Rot. Bonds6

About 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine

5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine (PubChem CID 126844357) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine
PubChem CID126844357
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine
SMILESCNCC(CCC(C)(F)F)C(C)C
InChIInChI=1S/C10H21F2N/c1-8(2)9(7-13-4)5-6-10(3,11)12/h8-9,13H,5-7H2,1-4H3
InChIKeyMNDSQBQTCCVODB-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-5-propan-2-yloctane
CID 175620292
6,6-difluoro-2-methylheptan-3-amine
CID 126844363
4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine
CID 134163261
N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 62528154
(2R)-5,5-difluorohexan-2-amine
CID 156690161
N-ethyl-5,5-dimethyl-2-propan-2-ylhexan-1-amine
CID 62528162
N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride
CID 126844480
6,6,6-trifluoro-N,2-dimethylhexan-1-amine
CID 116536282
N-(2-cyclopentyl-2-methylpropyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252969
N-[3-methyl-2-(methylaminomethyl)butyl]formamide
CID 177136057
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
CID 142196166

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine?
The IUPAC name of 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine (CID 126844357) is 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine.
What is the SMILES notation for 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine?
The canonical SMILES for 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine is CNCC(CCC(C)(F)F)C(C)C.
What is the InChIKey of 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine?
The InChIKey is MNDSQBQTCCVODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N/c1-8(2)9(7-13-4)5-6-10(3,11)12/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine?
5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine has a molecular weight of 193.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-methyl-2-propan-2-ylhexan-1-amine is sourced from PubChem (CID 126844357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).