1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol

C10H19F2NO — CID 65116492

IUPAC1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-8-2-4-10(14,5-3-8)7-13-6-9(11)12/h8-9,13-14H,2-7H2,1H3
InChIKeyRJFBGQZITXBSHR-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.78
Rot. Bonds4

About 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol

1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol (PubChem CID 65116492) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol
PubChem CID65116492
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-8-2-4-10(14,5-3-8)7-13-6-9(11)12/h8-9,13-14H,2-7H2,1H3
InChIKeyRJFBGQZITXBSHR-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Ethylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758873
1-[(Propan-2-ylamino)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758875
4-(Methylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 83916810
Difluoro-[4-[(2-methylheptylamino)methyl]cyclohexyl]methanol
CID 124095015
4,4-Difluoro-1-[1-(methylamino)ethyl]cyclohexan-1-ol
CID 134570750
4-[(Tert-butylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
CID 158091513
Ethane;4-(ethylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 166157677
4-[(Propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
CID 166157735
4-[(Tert-butylamino)methyl]-4-fluoro-1-methylcyclohexan-1-ol
CID 166567760
4-(Propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 167249349
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
4,4-Difluoro-1-(methylaminomethyl)cyclohexan-1-ol;ethane
CID 177955466

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol (CID 65116492) is 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCC(F)F)CC1.
What is the InChIKey of 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is RJFBGQZITXBSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8-2-4-10(14,5-3-8)7-13-6-9(11)12/h8-9,13-14H,2-7H2,1H3.
What are the key properties of 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol?
1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluoroethylamino)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65116492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).