2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol

C10H17F2NO — CID 164650724

IUPAC2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol
SMILESCC1(O)CCCC1NC1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c1-9(14)4-2-3-8(9)13-7-5-10(11,12)6-7/h7-8,13-14H,2-6H2,1H3
InChIKeyKEQIGJFLUGKRHA-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.68
Rot. Bonds2

About 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol

2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol (PubChem CID 164650724) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol
PubChem CID164650724
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol
SMILESCC1(O)CCCC1NC1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c1-9(14)4-2-3-8(9)13-7-5-10(11,12)6-7/h7-8,13-14H,2-6H2,1H3
InChIKeyKEQIGJFLUGKRHA-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2R)-2-(2-methylpropylamino)-1-(trifluoromethyl)cyclopentan-1-ol
CID 167273949
trans-(1S,2R)-2-(tert-butylamino)-1-methylcyclopentan-1-ol
CID 134992791
1-[(1,1-Difluoropropan-2-ylamino)methyl]cyclopentan-1-ol
CID 102869656
1-[(6,6,6-Trifluorohexan-2-ylamino)methyl]cyclopentan-1-ol
CID 113533829
1-[(4,4,4-Trifluorobutan-2-ylamino)methyl]cyclopentan-1-ol
CID 115719662
2-(Ethylamino)-7,7,7-trifluoro-3-methylheptan-3-ol
CID 116535886
2-(2-Fluoroethylamino)-1-methylcyclopentan-1-ol
CID 126979136
1-Methyl-2-(2,2,2-trifluoroethylamino)cyclopentan-1-ol
CID 130532216
1-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
CID 130532376
2-(1,1-Difluoropropan-2-ylamino)-1,2-dimethylcyclopentan-1-ol
CID 130663207
2-(3,3-Difluorobutan-2-ylamino)-1-methylcyclopentan-1-ol
CID 130908915
2-[(2,2-Difluoropropyl)amino]-1-methylcyclopentan-1-ol
CID 164654639

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol?
The IUPAC name of 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol (CID 164650724) is 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol.
What is the SMILES notation for 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol?
The canonical SMILES for 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol is CC1(O)CCCC1NC1CC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol?
The InChIKey is KEQIGJFLUGKRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-9(14)4-2-3-8(9)13-7-5-10(11,12)6-7/h7-8,13-14H,2-6H2,1H3.
What are the key properties of 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol?
2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol has a molecular weight of 205.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclobutyl)amino]-1-methylcyclopentan-1-ol is sourced from PubChem (CID 164650724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).