[2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid

C12H21F3N2O2 — CID 146472128

IUPAC[2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(C(F)(F)F)CC1N
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)17(10(18)19)9-5-4-7(6-8(9)16)12(13,14)15/h7-9H,4-6,16H2,1-3H3,(H,18,19)
InChIKeySBYGEVJEXUZYIQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.82
Rot. Bonds1

About [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid

[2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid (PubChem CID 146472128) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid
PubChem CID146472128
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name[2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCC(C(F)(F)F)CC1N
InChIInChI=1S/C12H21F3N2O2/c1-11(2,3)17(10(18)19)9-5-4-7(6-8(9)16)12(13,14)15/h7-9H,4-6,16H2,1-3H3,(H,18,19)
InChIKeySBYGEVJEXUZYIQ-UHFFFAOYSA-N
XLogP2.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid
CID 146472186
tert-butyl-[(1R,2S,4S)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 67035009
tert-butyl-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 118512779
[6-amino-4-(trifluoromethyl)cyclohex-3-en-1-yl]-tert-butylcarbamic acid
CID 146472074
(3-aminocyclopentyl)-tert-butylcarbamic acid
CID 67110665
[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid
CID 130475601
2-amino-4-(trifluoromethyl)cyclohexan-1-ol
CID 117046480
[(1R,3S)-3-aminocyclohexyl]-tert-butylcarbamic acid
CID 67070328
[(4R,5R)-5-amino-2-oxopiperidin-4-yl]-tert-butylcarbamic acid
CID 118874609
tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid
CID 69297604
[(3R,4S)-4-amino-6-oxopiperidin-3-yl]-tert-butylcarbamic acid
CID 118874617
tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 166789898

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid?
The IUPAC name of [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid (CID 146472128) is [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid.
What is the SMILES notation for [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid?
The canonical SMILES for [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)C1CCC(C(F)(F)F)CC1N.
What is the InChIKey of [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid?
The InChIKey is SBYGEVJEXUZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-11(2,3)17(10(18)19)9-5-4-7(6-8(9)16)12(13,14)15/h7-9H,4-6,16H2,1-3H3,(H,18,19).
What are the key properties of [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid?
[2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid has a molecular weight of 282.31 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid is sourced from PubChem (CID 146472128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).