4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine

C8H15F3N2 — CID 79736600

IUPAC4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h6-7,13H,1-5,12H2
InChIKeyPELWCMQUUGDYAP-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.41
Rot. Bonds2

About 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine

4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine (PubChem CID 79736600) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
PubChem CID79736600
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NCC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h6-7,13H,1-5,12H2
InChIKeyPELWCMQUUGDYAP-UHFFFAOYSA-N
XLogP1.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2,2,3,3-tetrafluoropropyl)cyclopentane-1,3-diamine
CID 106289857
3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol
CID 106172985
4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclohexane-1,4-diamine
CID 62319981
4-N-[(1-fluorocyclopropyl)methyl]cyclohexane-1,4-diamine
CID 130834768
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416
4-N-[3-[(4-aminocyclohexyl)amino]-2,2-dimethylpropyl]cyclohex-2-ene-1,4-diamine
CID 71119736
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86277318
4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
CID 121321911
4-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]cyclohexane-1,4-diamine
CID 115149957
N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine
CID 165467374
4-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 83262332

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine (CID 79736600) is 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine is NC1CCC(NCC(F)(F)F)CC1.
What is the InChIKey of 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
The InChIKey is PELWCMQUUGDYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h6-7,13H,1-5,12H2.
What are the key properties of 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine has a molecular weight of 196.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79736600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).