4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol

C7H11F3INO — CID 163837471

IUPAC4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(NI)(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3INO/c8-7(9,10)6(12-11)3-1-5(13)2-4-6/h5,12-13H,1-4H2
InChIKeyOJARSDJJMQUEJZ-UHFFFAOYSA-N
MW309.07 g/mol
LogP2.16
Rot. Bonds1

About 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol

4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 163837471) has the molecular formula C7H11F3INO and a molecular weight of 309.07 g/mol. Its IUPAC name is 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID163837471
Molecular FormulaC7H11F3INO
Molecular Weight309.07 g/mol
Exact Mass308.98
IUPAC Name4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1CCC(NI)(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3INO/c8-7(9,10)6(12-11)3-1-5(13)2-4-6/h5,12-13H,1-4H2
InChIKeyOJARSDJJMQUEJZ-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.07
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-Amino-4-(trifluoromethyl)cyclohexan-1-ol hydrochloride
CID 86811675
4-Amino-4-methyl-cyclohexanol
CID 22379847
4-Amino-4-(trifluoromethyl)cyclohexan-1-ol
CID 54594720
4-(Disulfanylamino)-4-(trifluoromethyl)cyclohexan-1-ol
CID 169588114
4-Amino-4-(3,3,3-trifluoropropyl)cyclohexan-1-ol
CID 130868015
4-Amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol
CID 130933449
4-Amino-4-(2-fluoroethyl)cyclohexan-1-ol
CID 164649074
4-Amino-4-(3-fluoropropyl)cyclohexan-1-ol
CID 164649084
4-Amino-4-(2,2-difluoroethyl)cyclohexan-1-ol
CID 164655200
4-Amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexan-1-ol
CID 165640722
4-Amino-4-(heptafluoropropyl)cyclohexan-1-ol
CID 165666623
4-Amino-4-(fluoromethyl)cyclohexan-1-ol
CID 165677666

Frequently Asked Questions

What is the IUPAC name of 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol (CID 163837471) is 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol is OC1CCC(NI)(C(F)(F)F)CC1.
What is the InChIKey of 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OJARSDJJMQUEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3INO/c8-7(9,10)6(12-11)3-1-5(13)2-4-6/h5,12-13H,1-4H2.
What are the key properties of 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol?
4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 309.07 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodoamino)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 163837471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).