(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen

C9H19F3N2O — CID 158943513

IUPAC(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen
SMILESNC1CCC(N[C@H](CO)C(F)(F)F)CC1.[H][H]
InChIInChI=1S/C9H17F3N2O.H2/c10-9(11,12)8(5-15)14-7-3-1-6(13)2-4-7;/h6-8,14-15H,1-5,13H2;1H/t6?,7?,8-;/m1./s1
InChIKeyJKNVDPNNPGSABJ-XJRLSETOSA-N
MW228.26 g/mol
LogP1.02
Rot. Bonds3

About (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen

(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen (PubChem CID 158943513) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen.

Molecular Properties

Compound Name(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen
PubChem CID158943513
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen
SMILESNC1CCC(N[C@H](CO)C(F)(F)F)CC1.[H][H]
InChIInChI=1S/C9H17F3N2O.H2/c10-9(11,12)8(5-15)14-7-3-1-6(13)2-4-7;/h6-8,14-15H,1-5,13H2;1H/t6?,7?,8-;/m1./s1
InChIKeyJKNVDPNNPGSABJ-XJRLSETOSA-N
XLogP1.02
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen?
The IUPAC name of (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen (CID 158943513) is (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen.
What is the SMILES notation for (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen?
The canonical SMILES for (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen is NC1CCC(N[C@H](CO)C(F)(F)F)CC1.[H][H].
What is the InChIKey of (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen?
The InChIKey is JKNVDPNNPGSABJ-XJRLSETOSA-N. The full InChI is InChI=1S/C9H17F3N2O.H2/c10-9(11,12)8(5-15)14-7-3-1-6(13)2-4-7;/h6-8,14-15H,1-5,13H2;1H/t6?,7?,8-;/m1./s1.
What are the key properties of (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen?
(2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen has a molecular weight of 228.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-aminocyclohexyl)amino]-3,3,3-trifluoropropan-1-ol;molecular hydrogen is sourced from PubChem (CID 158943513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).